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CHEBI:84900 - 12-deoxynogalonate(1−)

ChEBI IDCHEBI:84900
ChEBI Name12-deoxynogalonate(1−)
Stars
ASCII Name12-deoxynogalonate(1-)
DefinitionAn oxo monocarboxylic acid anion that is the conjugate base of 12-deoxynogalonic acid, obtained by deprotonation of the carboxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified23 April 2015
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC20H15O7
Net Charge-1
Average Mass367.333
Monoisotopic Mass367.08233
SMILESCC(=O)CC(=O)c1c(CC(=O)[O-])cc2c(c1O)C(=O)c1c(O)cccc1C2
InChIInChI=1S/C20H16O7/c1-9(21)5-14(23)17-12(8-15(24)25)7-11-6-10-3-2-4-13(22)16(10)19(26)18(11)20(17)27/h2-4,7,22,27H,5-6,8H2,1H3,(H,24,25)/p-1
InChIKeyYUGKGSBEHZYJDB-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
12-deoxynogalonate(1−) (CHEBI:84900) is a oxo monocarboxylic acid anion (CHEBI:35902)
12-deoxynogalonate(1−) (CHEBI:84900) is conjugate base of 12-deoxynogalonic acid (CHEBI:81873)
Incoming Relation(s)
12-deoxynogalonic acid (CHEBI:81873) is conjugate acid of 12-deoxynogalonate(1−) (CHEBI:84900)
IUPAC Name 
[4,5-dihydroxy-10-oxo-3-(3-oxobutanoyl)-9,10-dihydroanthracen-2-yl]acetate
UniProt Name  Source
deoxynogalonateUniProt
Manual XrefsDatabases
CPD-17516MetaCyc
Citations